Computational Methods for the Analysis of Non-Covalent Interactions
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Beschreibung
This volume showcases state-of-the-art computational methodologies for the description and analysis of non-covalent interactions. Each chapter focusses on a specific approach, outlining a theoretical framework for the method in hand that is then illustrated by cutting-edge applications. A range of energy decomposition analyses and real-space topological and geometrical schemes are covered, providing a menu of approaches from which to draw insight into non-covalent interactions. The book serves as a comprehensive resource for computational chemists, as well as experimental chemists seeking to understand how computational techniques can be applied in their research.
This volume showcases state-of-the-art computational methodologies for the description and analysis of non-covalent interactions. Each chapter focusses on a specific approach, outlining a theoretical framework for the method in hand that is then illustrated by cutting-edge applications. A range of energy decomposition analyses and real-space topological and geometrical schemes are covered, providing a menu of approaches from which to draw insight into non-covalent interactions. The book serves as a comprehensive resource for computational chemists, as well as experimental chemists seeking to understand how computational techniques can be applied in their research.
Includes state-of-the-art techniques to study non-covalent interactions Presents diverse methods to tackle diverse chemistries Strongly focused on applications
Autor*in
Carlos Martín-Fernández
Themen in »Computational Methods for the Analysis of Non-Covalent Interactions«
Non-covalent interactions Energy decomposition schemes Hydrogen bonds London dispersion